7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H37F2N5O — CID 19447221

About 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19447221) has the molecular formula C27H37F2N5O and a molecular weight of 485.62 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 19447221
• Molecular Formula: C27H37F2N5O
• Molecular Weight: 485.62 g/mol
• Exact Mass: 485.30
• IUPAC Name: 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCCCCN(CCCCC)CC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
• InChI: InChI=1S/C27H37F2N5O/c1-4-6-11-15-33(16-12-7-5-2)19-20(3)31-27(35)22-18-30-34-24(25(28)29)17-23(32-26(22)34)21-13-9-8-10-14-21/h8-10,13-14,17-18,20,25H,4-7,11-12,15-16,19H2,1-3H3,(H,31,35)
• InChIKey: DVHMSZXXAJEIFT-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.62
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19447221) is 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCCN(CCCCC)CC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.

What is the InChIKey of 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is DVHMSZXXAJEIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F2N5O/c1-4-6-11-15-33(16-12-7-5-2)19-20(3)31-27(35)22-18-30-34-24(25(28)29)17-23(32-26(22)34)21-13-9-8-10-14-21/h8-10,13-14,17-18,20,25H,4-7,11-12,15-16,19H2,1-3H3,(H,31,35).

What are the key properties of 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 485.62 g/mol, XLogP of 6.13, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19447221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).